![4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid structure](/static/products/4339/433950-68-6.webp)
4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 433950-68-6) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoic acid
Also Known As: 4-(3-(benzofuran-2-carbonyl)thioureido)benzoic acid, 4-(benzofuran-2-carbonylthiocarbamoylamino)benzoic Acid, 4-[3-(Benzofuran-2-carbonyl)-thioureido]-benzoic acid, 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid, 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoic acid
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.2578 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 898.17334 |
Chemical Identifiers
| CAS Number | 433950-68-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 433950-68-6), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid
The XLogP value of 3.2578 indicates that 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid is 433950-68-6.
What is the molecular formula of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid is C17H12N2O4S.
What is the molecular weight of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid is 340.05 g/mol.
Where can I buy 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1-Benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.